1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea

C10H18N4S — CID 4767918

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea
SMILESCc1nn(C)cc1NC(=S)NCC(C)C
InChIInChI=1S/C10H18N4S/c1-7(2)5-11-10(15)12-9-6-14(4)13-8(9)3/h6-7H,5H2,1-4H3,(H2,11,12,15)
InChIKeySAXFIMLENCAPPL-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.67
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea

1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea (PubChem CID 4767918) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea
PubChem CID4767918
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea
SMILESCc1nn(C)cc1NC(=S)NCC(C)C
InChIInChI=1S/C10H18N4S/c1-7(2)5-11-10(15)12-9-6-14(4)13-8(9)3/h6-7H,5H2,1-4H3,(H2,11,12,15)
InChIKeySAXFIMLENCAPPL-UHFFFAOYSA-N
XLogP1.67
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea (CID 4767918) is 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea is Cc1nn(C)cc1NC(=S)NCC(C)C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea?
The InChIKey is SAXFIMLENCAPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7(2)5-11-10(15)12-9-6-14(4)13-8(9)3/h6-7H,5H2,1-4H3,(H2,11,12,15).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea?
1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea has a molecular weight of 226.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 4767918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).